5-fluoro-6-methylpyridine-2-carboxylic acid;formamide

C8H9FN2O3 — CID 143716131

IUPAC5-fluoro-6-methylpyridine-2-carboxylic acid;formamide
SMILESCc1nc(C(=O)O)ccc1F.NC=O
InChIInChI=1S/C7H6FNO2.CH3NO/c1-4-5(8)2-3-6(9-4)7(10)11;2-1-3/h2-3H,1H3,(H,10,11);1H,(H2,2,3)
InChIKeyISWLCMKODWMAML-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.33
Rot. Bonds1

About 5-fluoro-6-methylpyridine-2-carboxylic acid;formamide

5-fluoro-6-methylpyridine-2-carboxylic acid;formamide (PubChem CID 143716131) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 5-fluoro-6-methylpyridine-2-carboxylic acid;formamide.

Molecular Properties

Compound Name5-fluoro-6-methylpyridine-2-carboxylic acid;formamide
PubChem CID143716131
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name5-fluoro-6-methylpyridine-2-carboxylic acid;formamide
SMILESCc1nc(C(=O)O)ccc1F.NC=O
InChIInChI=1S/C7H6FNO2.CH3NO/c1-4-5(8)2-3-6(9-4)7(10)11;2-1-3/h2-3H,1H3,(H,10,11);1H,(H2,2,3)
InChIKeyISWLCMKODWMAML-UHFFFAOYSA-N
XLogP0.33
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5,6-difluoropyridine-2-carboxylic acid
CID 11469221
ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate
CID 176560584
6-fluoro-5-methylquinoline-2-carboxylic acid
CID 97036802
(3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid
CID 55271961
6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 67208142
6-(1-ethoxyethenyl)-3-fluoro-2-methylpyridine
CID 67324666
1-(5-fluoro-6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 146074769
6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid
CID 151709379
3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 123135182
8-bromo-7-fluoroquinoline-2-carboxylic acid
CID 97036795
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939
6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid
CID 70654818

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methylpyridine-2-carboxylic acid;formamide?
The IUPAC name of 5-fluoro-6-methylpyridine-2-carboxylic acid;formamide (CID 143716131) is 5-fluoro-6-methylpyridine-2-carboxylic acid;formamide.
What is the SMILES notation for 5-fluoro-6-methylpyridine-2-carboxylic acid;formamide?
The canonical SMILES for 5-fluoro-6-methylpyridine-2-carboxylic acid;formamide is Cc1nc(C(=O)O)ccc1F.NC=O.
What is the InChIKey of 5-fluoro-6-methylpyridine-2-carboxylic acid;formamide?
The InChIKey is ISWLCMKODWMAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO2.CH3NO/c1-4-5(8)2-3-6(9-4)7(10)11;2-1-3/h2-3H,1H3,(H,10,11);1H,(H2,2,3).
What are the key properties of 5-fluoro-6-methylpyridine-2-carboxylic acid;formamide?
5-fluoro-6-methylpyridine-2-carboxylic acid;formamide has a molecular weight of 200.17 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methylpyridine-2-carboxylic acid;formamide is sourced from PubChem (CID 143716131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).